N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane

C14H30FN3O2 — CID 143827386

IUPACN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane
SMILESC/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C.CC.CC
InChIInChI=1S/C10H18FN3O2.2C2H6/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4;2*1-2/h5-8H,1-4H3,(H2,12,13);2*1-2H3/b9-5+;;
InChIKeyGPSKYELCVNGDNN-KJDUPKRESA-N
MW291.41 g/mol
LogP3.07
Rot. Bonds6

About N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane

N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane (PubChem CID 143827386) has the molecular formula C14H30FN3O2 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane.

Molecular Properties

Compound NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane
PubChem CID143827386
Molecular FormulaC14H30FN3O2
Molecular Weight291.41 g/mol
Exact Mass291.23
IUPAC NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane
SMILESC/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C.CC.CC
InChIInChI=1S/C10H18FN3O2.2C2H6/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4;2*1-2/h5-8H,1-4H3,(H2,12,13);2*1-2H3/b9-5+;;
InChIKeyGPSKYELCVNGDNN-KJDUPKRESA-N
XLogP3.07
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane?
The IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane (CID 143827386) is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane.
What is the SMILES notation for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane?
The canonical SMILES for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane is C/N=C(N)/C(F)=C\N(C=O)C(C)OC(C)C.CC.CC.
What is the InChIKey of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane?
The InChIKey is GPSKYELCVNGDNN-KJDUPKRESA-N. The full InChI is InChI=1S/C10H18FN3O2.2C2H6/c1-7(2)16-8(3)14(6-15)5-9(11)10(12)13-4;2*1-2/h5-8H,1-4H3,(H2,12,13);2*1-2H3/b9-5+;;.
What are the key properties of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane?
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane has a molecular weight of 291.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide;ethane is sourced from PubChem (CID 143827386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).